[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride

Systemtic Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride Openeye Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride CAS Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium chloride IUPAC Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium chloride Traditional Name: [9-(2-carbethoxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride Formula: C28H31ClN2O3 MolecularWeight: 479.01034

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.[Cl-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.[Cl-]

InChI

InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H